The crystal Structures of Thermomyces (Humicola) lanuginosa lipase in complex with enzymatic reactants
McPherson, A., Larson, S.B., Kalasky, A.(2020) Current Enzyme Inhibition 16
Experimental Data Snapshot
Starting Model: experimental
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(2020) Current Enzyme Inhibition 16
Entity ID: 1 | |||||
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Molecule | Chains | Sequence Length | Organism | Details | Image |
Lipase | 291 | Thermomyces lanuginosus | Mutation(s): 0  Gene Names: LIP EC: 3.1.1.3 | ||
UniProt | |||||
Find proteins for O59952 (Thermomyces lanuginosus) Explore O59952  Go to UniProtKB:  O59952 | |||||
Entity Groups   | |||||
Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
UniProt Group | O59952 | ||||
Glycosylation | |||||
Glycosylation Sites: 1 | |||||
Sequence AnnotationsExpand | |||||
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Ligands 5 Unique | |||||
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ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
LTV (Subject of Investigation/LOI) Query on LTV | FA [auth D] I [auth A] LA [auth F] Q [auth B] V [auth C] | 2-hydroxy-3-(octadecanoyloxy)propyl pentacosanoate C46 H90 O5 XHUXLZVWHLYNKB-SJARJILFSA-N | |||
NAG Query on NAG | EA [auth D] H [auth A] KA [auth F] P [auth B] U [auth C] | 2-acetamido-2-deoxy-beta-D-glucopyranose C8 H15 N O6 OVRNDRQMDRJTHS-FMDGEEDCSA-N | |||
OCA Query on OCA | CA [auth D] G [auth A] IA [auth F] L [auth B] S [auth C] | OCTANOIC ACID (CAPRYLIC ACID) C8 H16 O2 WWZKQHOCKIZLMA-UHFFFAOYSA-N | |||
PO4 Query on PO4 | AA [auth E] BA [auth E] GA [auth D] HA [auth D] J [auth A] | PHOSPHATE ION O4 P NBIIXXVUZAFLBC-UHFFFAOYSA-K | |||
CA Query on CA | DA [auth D] JA [auth F] N [auth B] O [auth B] T [auth C] | CALCIUM ION Ca BHPQYMZQTOCNFJ-UHFFFAOYSA-N |
Length ( Å ) | Angle ( ˚ ) |
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a = 76.929 | α = 90 |
b = 89.937 | β = 94.49 |
c = 123.422 | γ = 90 |
Software Name | Purpose |
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PHENIX | refinement |
PDB_EXTRACT | data extraction |
XDS | data reduction |
Aimless | data scaling |
PHASER | phasing |